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Water-Mediated Surface Diffusion Mechanism Enables the Cold Sintering Process: A Combined Computational and
Mert Y Sengul1, Jing Guo1,2, Clive A Randall1
1Materials Research Institute, The Pennsylvania State University, University Park, PA, 16802, USA.
Angewandte Chemie (International Ed. in English)
|July 5, 2019
Summary
Cold sintering process (CSP) accelerates zinc oxide recrystallization. Surface hydroxylation creates complexes, significantly boosting surface diffusion and speeding up grain growth in ceramics.
Area of Science:
- Materials Science
- Chemical Engineering
- Ceramic Engineering
Background:
- Cold sintering process (CSP) enables ceramic densification at lower temperatures.
- Zinc oxide (ZnO) exhibits reduced activation energies for grain growth during CSP, but the mechanism remains unclear.
Purpose of the Study:
- To investigate the mechanisms of grain growth in zinc oxide during cold sintering.
- To elucidate the role of surface interactions and acidic conditions on ZnO recrystallization.
Main Methods:
- Experimental investigations of ZnO recrystallization under various acidic conditions.
- ReaxFF molecular dynamics simulations to model atomic-level processes.
- Analysis of zinc cation adsorption and surface hydroxylation effects.
Main Results:
- Zinc cation adsorption to the surface was identified as a potential rate-limiting factor in CSP.
- Surface hydroxylation in CSP does not impede crystallization.
- Surface complex formation due to hydroxylation accelerates surface diffusion by orders of magnitude, enhancing recrystallization.
Conclusions:
- Surface hydroxylation is a key accelerator for zinc oxide recrystallization in cold sintering.
- Understanding these mechanisms can optimize CSP for advanced ceramic materials.
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